el1:  Cu
struct:  fcc
lp:  3.62
ecoh:  3.54
surf:  111
size:  (1.0, 1.0, 7.0)
vacuum:  4.0
orig
n1: 7
ene1: -23.780664
ene1pa: -3.39723771429
esub: -3.54
sarea1:  5.67437165068
esurff1:  1410.82815276  mJ/m^2
relaxed
ene2m: -23.780691
ene2mpa: -3.39724157143
sarea2:  5.67437165068
esurff2m:  1410.79003509  mJ/m^2
